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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024178

Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin

Formula: C20H31NO14  |  Mol. Weight: 509.50 g/mol

IUPAC: (2E)-2-[2,3-dihydroxy-4,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohexylidene]acetonitrile

Overview

Molecular Formula C20H31NO14
Molecular Weight 509.50 g/mol
Canonical SMILES C1C(C(C(C(=CC#N)C1OC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy